Pratim Kumar Chattaraj

Orcid: 0000-0002-5650-7666

According to our database1, Pratim Kumar Chattaraj authored at least 17 papers between 2007 and 2023.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Dataset
Other 

Links

Online presence:

On csauthors.net:

Bibliography

2023
Electrophilicity index revisited.
J. Comput. Chem., January, 2023

Structure and stability of the sH binary hydrate cavity and host-guest versus guest-guest interactions therein: A DFT approach.
J. Comput. Chem., 2023

2022
CSiGaAl2-/0 and CGeGaAl2-/0 having planar tetracoordinate carbon atoms in their global minimum energy structures.
J. Comput. Chem., 2022

2020
NEVAE: A Deep Generative Model for Molecular Graphs.
J. Mach. Learn. Res., 2020

Effect of substitution on the bonding in He dimer confined within dodecahedrane: A computational study.
J. Comput. Chem., 2020

Encapsulation of Mg2 inside a C60 cage forms an electride.
J. Comput. Chem., 2020

2019
NeVAE: A Deep Generative Model for Molecular Graphs.
Proceedings of the Thirty-Third AAAI Conference on Artificial Intelligence, 2019

2018
Reactions involving some gas molecules through sequestration on Al12Be cluster: An electron density based study.
J. Comput. Chem., 2018

Host-guest interactions between octa acid and cations/nucleobases.
J. Comput. Chem., 2018

Confinement induced thermodynamic and kinetic facilitation of some Diels-Alder reactions inside a CB[7] cavitand.
J. Comput. Chem., 2018

2016
Structure and stability of noble gas bound EX3+ compounds (E = C, Ge, Sn, Pb; X = H, F, Cl, Br).
J. Comput. Chem., 2016

Structure, stability, and nature of bonding in carbon monoxide bound EX3+ complexes (E = group 14 element; X = H, F, Cl, Br, I).
J. Comput. Chem., 2016

2015
A coupled-cluster study on the noble gas binding ability of metal cyanides versus metal halides (metal = Cu, Ag, Au).
J. Comput. Chem., 2015

2012
A computational study on the hydrogen adsorption capacity of various lithium - Doped boron hydrides.
J. Comput. Chem., 2012

2011
Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds: A Quantitative-Structure-Toxicity-Relationship (QSTR).
Int. J. Chemoinformatics Chem. Eng., 2011

2010
Bonding, aromaticity, and structure of trigonal dianion metal clusters.
J. Comput. Chem., 2010

2007
Aromaticity in alkali metal clusters: Role of the metalloligand and the size of the metal ion.
J. Comput. Methods Sci. Eng., 2007


  Loading...